N-(4-bromo-2-fluorophenyl)-2,4-dimethoxybenzamide

C15H13BrFNO3 — CID 1154183

IUPACN-(4-bromo-2-fluorophenyl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Br)cc2F)c(OC)c1
InChIInChI=1S/C15H13BrFNO3/c1-20-10-4-5-11(14(8-10)21-2)15(19)18-13-6-3-9(16)7-12(13)17/h3-8H,1-2H3,(H,18,19)
InChIKeyMIDNUYKYGNJSKB-UHFFFAOYSA-N
MW354.18 g/mol
LogP3.86
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-2,4-dimethoxybenzamide

N-(4-bromo-2-fluorophenyl)-2,4-dimethoxybenzamide (PubChem CID 1154183) has the molecular formula C15H13BrFNO3 and a molecular weight of 354.18 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2,4-dimethoxybenzamide
PubChem CID1154183
Molecular FormulaC15H13BrFNO3
Molecular Weight354.18 g/mol
Exact Mass353.01
IUPAC NameN-(4-bromo-2-fluorophenyl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Br)cc2F)c(OC)c1
InChIInChI=1S/C15H13BrFNO3/c1-20-10-4-5-11(14(8-10)21-2)15(19)18-13-6-3-9(16)7-12(13)17/h3-8H,1-2H3,(H,18,19)
InChIKeyMIDNUYKYGNJSKB-UHFFFAOYSA-N
XLogP3.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.18
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2-chloro-5-methoxyphenyl)-2-methoxybenzamide
CID 78987859
N-(2-amino-4-bromophenyl)-4-bromo-2-methoxybenzamide
CID 115368533
N-(2-fluoro-5-methylphenyl)-2,4-dimethoxybenzamide
CID 16546475
N-[(4-bromo-2-iodophenyl)carbamothioyl]-2,4-dimethoxybenzamide
CID 17098957
4-bromo-N-(5-bromo-2-methoxyphenyl)-2-methoxybenzamide
CID 78987917
4-bromo-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide
CID 78987785
4-bromo-2-chloro-N-(2,5-dimethoxyphenyl)benzamide
CID 55883648
4-bromo-N-(4-chloro-2-methylphenyl)-2-methoxybenzamide
CID 78987495
4-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 26688337
N-(2,4-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide
CID 3908223
N-(2-acetamido-5-bromophenyl)-4-chloro-2-methoxybenzamide
CID 52851584
N-(2-iodophenyl)-2,4-dimethoxybenzamide
CID 3340182

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2,4-dimethoxybenzamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2,4-dimethoxybenzamide (CID 1154183) is N-(4-bromo-2-fluorophenyl)-2,4-dimethoxybenzamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2,4-dimethoxybenzamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(Br)cc2F)c(OC)c1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2,4-dimethoxybenzamide?
The InChIKey is MIDNUYKYGNJSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO3/c1-20-10-4-5-11(14(8-10)21-2)15(19)18-13-6-3-9(16)7-12(13)17/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2,4-dimethoxybenzamide?
N-(4-bromo-2-fluorophenyl)-2,4-dimethoxybenzamide has a molecular weight of 354.18 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2,4-dimethoxybenzamide is sourced from PubChem (CID 1154183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).